SCHEMBL25325975

SCHEMBL25325975

CS(=O)(=O)c1ccc(CN2CC3(C2)CN(C(=O)N2CC4(CC(c5nnc(C6CC6)[nH]5)C4)C2)C3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ GPR119 Q8TDV5 4/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ HSP90AA1 P07900 2/20 0.35
▸ HSP90AB1 P08238 2/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ CYP2D6 P10635 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ROCK2 O75116 2/20 0.33
▸ SMYD3 Q9H7B4 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25324777 0.92 LMNA (0.39) LMNAJAK2JAK1TYK2JAK3
SCHEMBL25324298 0.89 DRD2 (0.40) LMNAKCNH2CYP2D6ROCK2MEN1
SCHEMBL25326080 0.88 MGLL (0.40) GPR119KCNH2CYP2D6CYP3A4CYP2C9
SCHEMBL25326672 0.87 CCR5 (0.38) JAK2JAK1TYK2JAK3GPR119
SCHEMBL25326500 0.86 GPR119 (0.37) GPR119
SCHEMBL25325132 0.84 CCR5 (0.38) JAK2JAK1TYK2JAK3GPR119
SCHEMBL25328128 0.83 GPBAR1 (0.37) JAK2JAK1TYK2JAK3GPR119
SCHEMBL25324941 0.83 GPR119 (0.36) JAK2JAK1TYK2JAK3GPR119
SCHEMBL25326089 0.83 NR3C1 (0.34) LMNACYP2D6CYP3A4CYP2C19
SCHEMBL25324805 0.80 MGLL (0.33) CYP2D6ALDH1A1CYP3A4CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US claimed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP claimed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO claimed
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US disclosed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 LMNA 3406/4885JAK2 1296/4885JAK1 2863/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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